ChemDiv1_001626
TL;DR: ChemDiv1_001626 (CAS 332045-91-7) is a chemical compound with molecular formula C22H20BrN3O3S and molecular weight 485.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_001626, BAS 00865613, AE-848/11420883, N-(4-bromophenyl)-2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
| Molecular Formula | C22H20BrN3O3S |
|---|---|
| Molecular Weight | 485.04 g/mol |
| LogP | 4.55838 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.0409 |
| Heavy Atoms | 30 |
| Complexity | 997.78296 |
Chemical Identifiers
| CAS Number | 332045-91-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_001626 (CAS 332045-91-7), with molecular formula C22H20BrN3O3S and molecular weight 485.04 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_001626
Property Insights of ChemDiv1_001626
The XLogP value of 4.55838 indicates that ChemDiv1_001626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001626. Following Lipinski's Rule of Five, ChemDiv1_001626 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001626?
The CAS number of ChemDiv1_001626 is 332045-91-7.
What is the molecular formula of ChemDiv1_001626?
The molecular formula of ChemDiv1_001626 is C22H20BrN3O3S.
What is the molecular weight of ChemDiv1_001626?
The molecular weight of ChemDiv1_001626 is 485.04 g/mol.
Where can I buy ChemDiv1_001626?
You can request a quote for ChemDiv1_001626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001626?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.